化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-7-溴-4-氯-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-18-[3-[(2-甲基-2-基)oxycarbonylamino]丙基]-11,14,17-三氧代-2-硫杂-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-基]甲基]吲哚-1-甲酸基酯 tert-butyl 3-[[(12S,15S,18S)-7-bromo-4-chloro-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-11,14,17-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-yl]methyl]indole-1-carboxylate

InChI

InChI=1S/C51H70BrClN8O9S/c1-49(2,3)68-46(65)54-25-16-15-20-38-44(64)59(10)40(28-33-31-60(48(67)70-51(7,8)9)39-22-13-12-19-34(33)39)43(63)57-30-35-36(52)24-27-61(53)45(35)71-41-23-14-11-18-32(41)29-56-37(42(62)58-38)21-17-26-55-47(66)69-50(4,5)6/h11-14,18-19,22-24,31,37-38,40,56H,15-17,20-21,25-30H2,1-10H3,(H,54,65)(H,55,66)(H,57,63)(H,58,62)/t37-,38-,40-/m0/s1

InChI Key

FPTULDXKQBUVHK-ZHTZQEILSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2Br)Cl)SC3=CC=CC=C3CNC(C(=O)N1)CCCNC(=O)OC(C)(C)C)CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C

别名

• SCHEMBL21404836